2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H25N5OS2/c1-21(2,3)15-10-8-14(9-11-15)19-24-25-20(26(19)22)29-13-18(27)23-16-6-5-7-17(12-16)28-4/h5-12H,13,22H2,1-4H3,(H,23,27)